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CHEBI:87604 - 1,1,6-trimethyltetralin

ChEBI IDCHEBI:87604
ChEBI Name1,1,6-trimethyltetralin
Stars
DefinitionA member of the class of tetralins that is tetralin substituted by methyl groups at positions 1, 1 and 6 respectively.
Last Modified20 August 2015
Submitternamrata
DownloadsMolfile
FormulaC13H18
Net Charge0
Average Mass174.287
Monoisotopic Mass174.14085
SMILESCc1ccc2c(c1)CCCC2(C)C
InChIInChI=1S/C13H18/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyLTMQZVLXCLQPCT-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1,1,6-trimethyltetralin (CHEBI:87604) has parent hydride tetralin (CHEBI:35008)
1,1,6-trimethyltetralin (CHEBI:87604) has role metabolite (CHEBI:25212)
1,1,6-trimethyltetralin (CHEBI:87604) is a ortho-fused bicyclic hydrocarbon (CHEBI:35428)
1,1,6-trimethyltetralin (CHEBI:87604) is a tetralins (CHEBI:36786)
IUPAC Name 
1,1,6-trimethyl-1,2,3,4-tetrahydronaphthalene
Registry NumbersSources
Reaxys:1862519Reaxys
CAS:475-03-6ChemIDplus
CAS:475-03-6NIST Chemistry WebBook